tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(4-nitrophenyl)methylamino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(4-nitrophenyl)methylamino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(4-nitrophenyl)methylamino]pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-[(4-nitrophenyl)methylamino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(4-nitrophenyl)methylamino]pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(4-nitrobenzyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5/c1-22(2,3)32-21(29)26-14-16(24-13-15-6-8-17(9-7-15)27(30)31)11-19(26)20(28)25-10-4-5-18(25)12-23/h6-9,16,18-19,24H,4-5,10-11,13-14H2,1-3H3